N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[(E)-2-phenylethenyl]sulfanylpropanamide
Formula:C19H17NOF4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[(E)-2-phenylethenyl]sulfanylpropanamide is a drug-like molecule.
| MolName | N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[(E)-2-phenylethenyl]sulfanylpropanamide |
| MolecularFormula | C19H17NOF4S |
| Smiles | O=C(CCS/C=C/c1ccccc1)NCc1cc(F)cc(C(F)(F)F)c1 |
| InChI | InChI=1S/C19H17F4NOS/c20-17-11-15(10-16(12-17)19(21,22)23)13-24-18(25)7-9-26-8-6-14-4-2-1-3-5-14/h1-6,8,10-12H,7,9,13H2,(H,24,25) |
| InChIK | JQQKYRXFIZQBEY-UHFFFAOYSA-N |
| TotalMolweight | 383.408 |
| Molweight | 383.408 |
| MonoisotopicMass | 383.096696 |
| CLogP | 4.4017 |
| CLogS | -5.187 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 283.31 |
| Relative PSA | 0.14821 |
| PolarSurfaceArea | 54.4 |
| Druglikeness | -5.2678 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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